4OEX
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![BU of 4oex by Molmil](/molmil-images/mine/4oex) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Ren, J, Xu, Y.C. | Deposit date: | 2014-01-14 | Release date: | 2015-04-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors. J.Med.Chem., 57, 2014
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8XV2
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![BU of 8xv2 by Molmil](/molmil-images/mine/8xv2) | Thiamine-bound human SLC19A3 | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Soluble cytochrome b562,Thiamine transporter 2 | Authors: | Dang, Y, Wang, G.P, Zhang, Z. | Deposit date: | 2024-01-14 | Release date: | 2024-03-27 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Substrate and drug recognition mechanisms of SLC19A3. Cell Res., 34, 2024
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8XV5
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![BU of 8xv5 by Molmil](/molmil-images/mine/8xv5) | Pyridoxamine-bound human SLC19A3 | Descriptor: | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, Soluble cytochrome b562,Thiamine transporter 2 | Authors: | Dang, Y, Wang, G.P, Zhang, Z. | Deposit date: | 2024-01-14 | Release date: | 2024-03-27 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Substrate and drug recognition mechanisms of SLC19A3. Cell Res., 34, 2024
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6K0Y
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![BU of 6k0y by Molmil](/molmil-images/mine/6k0y) | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor | Descriptor: | 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ... | Authors: | Liu, J.X, Wang, G.Q. | Deposit date: | 2019-05-08 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor. Sci Rep, 9, 2019
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3F9V
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![BU of 3f9v by Molmil](/molmil-images/mine/3f9v) | Crystal Structure Of A Near Full-Length Archaeal MCM: Functional Insights For An AAA+ Hexameric Helicase | Descriptor: | Minichromosome maintenance protein MCM | Authors: | Chen, X.J, Brewster, A.S, Wang, G.G, Yu, X, Greenleaf, W, Tjajadi, M, Klein, M. | Deposit date: | 2008-11-14 | Release date: | 2008-12-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (4.35 Å) | Cite: | Crystal structure of a near-full-length archaeal MCM: Functional insights for an AAA+ hexameric helicase. Proc.Natl.Acad.Sci.USA, 105, 2008
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5DDV
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7KGY
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![BU of 7kgy by Molmil](/molmil-images/mine/7kgy) | Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL | Authors: | Simpson, J.B, Redinbo, M.R. | Deposit date: | 2020-10-19 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract. Nat Commun, 13, 2022
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7KGZ
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5ZLM
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![BU of 5zlm by Molmil](/molmil-images/mine/5zlm) | Mutation in the trinuclear site of CotA-laccase: H491C mutant, PH 8.0 | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ... | Authors: | Xie, T, Liu, Z.C, Wang, G.G. | Deposit date: | 2018-03-28 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insight into the Allosteric Coupling of Cu1 Site and Trinuclear Cu Cluster in CotA Laccase. Chembiochem, 19, 2018
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5ZLK
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![BU of 5zlk by Molmil](/molmil-images/mine/5zlk) | Mutation in the trinuclear site of CotA-laccase: H493A mutant, PH 8.0 | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ... | Authors: | Xie, T, Liu, Z.C, Wang, G.G. | Deposit date: | 2018-03-28 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insight into the Allosteric Coupling of Cu1 Site and Trinuclear Cu Cluster in CotA Laccase. Chembiochem, 19, 2018
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5X8H
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![BU of 5x8h by Molmil](/molmil-images/mine/5x8h) | Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49 | Descriptor: | Short-chain dehydrogenase reductase | Authors: | Zhao, F.J, Jin, Y, Liu, Z.C, Wang, G.G, Wu, Z.L. | Deposit date: | 2017-03-02 | Release date: | 2017-11-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure and iterative saturation mutagenesis of ChKRED20 for expanded catalytic scope Appl. Microbiol. Biotechnol., 101, 2017
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5ZLL
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![BU of 5zll by Molmil](/molmil-images/mine/5zll) | Mutation in the trinuclear site of CotA-laccase: H493C mutant, PH 8.0 | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ... | Authors: | Xie, T, Liu, Z.C, Wang, G.G. | Deposit date: | 2018-03-28 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insight into the Allosteric Coupling of Cu1 Site and Trinuclear Cu Cluster in CotA Laccase. Chembiochem, 19, 2018
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7CHF
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7CHE
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7CH4
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7CHB
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![BU of 7chb by Molmil](/molmil-images/mine/7chb) | Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-236 Fab heavy chain, BD-236 Fab light chain, ... | Authors: | Xiao, J, Zhu, Q. | Deposit date: | 2020-07-05 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy. Cell, 183, 2020
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8HGH
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![BU of 8hgh by Molmil](/molmil-images/mine/8hgh) | Structure of 2:2 PAPP-A.STC2 complex | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-11-14 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (4.16 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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8HGG
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![BU of 8hgg by Molmil](/molmil-images/mine/8hgg) | Structure of 2:2 PAPP-A.ProMBP complex | Descriptor: | Bone marrow proteoglycan, Pappalysin-1, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-11-14 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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6IXM
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![BU of 6ixm by Molmil](/molmil-images/mine/6ixm) | Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49 complexed with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Short-chain dehydrogenase reductase | Authors: | Zhao, F.J, Jin, Y, Liu, Z.C, Wang, G.G, Wu, Z.L. | Deposit date: | 2018-12-11 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structure-guided engineering of ChKRED20 from Chryseobacterium sp. CA49 for asymmetric reduction of aryl ketoesters. Enzyme Microb. Technol., 125, 2019
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7CHC
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7CH5
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6KLI
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![BU of 6kli by Molmil](/molmil-images/mine/6kli) | Crystal Structure of the Zea Mays laccase 3 complexed with sinapyl | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, ... | Authors: | Xie, T, Liu, Z.C, Wang, G.G. | Deposit date: | 2019-07-30 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for monolignol oxidation by a maize laccase. Nat.Plants, 6, 2020
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6KLJ
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![BU of 6klj by Molmil](/molmil-images/mine/6klj) | Crystal Structure of the Zea Mays laccase 3 complexed with coniferyl | Descriptor: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xie, T, Liu, Z.C, Wang, G.G. | Deposit date: | 2019-07-30 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structural basis for monolignol oxidation by a maize laccase. Nat.Plants, 6, 2020
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6DNU
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6DNL
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![BU of 6dnl by Molmil](/molmil-images/mine/6dnl) | Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the reduced form | Descriptor: | ACETATE ION, Thiol:disulfide interchange protein DsbD, ZINC ION | Authors: | Smith, R.P, Heras, B, Paxman, J.J. | Deposit date: | 2018-06-06 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens. J. Biol. Chem., 293, 2018
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